Thermal transport in planar sp2-hybridized carbon allotropes: A comparative study of biphenylene network, pentaheptite and graphene

Origins of low lattice thermal conductivity in 2D carbon allotropes

(2021) Huicong Dong et al.   Journal of Materials Research and Technology-JMR&T

Ultrahigh thermal conductivity and strength in direct-gap semiconducting graphene-like BC6N: A first-principles and classical investigation

(2021) Bohayra Mortazavi   CARBON

Thermal transport in pristine and defective two-dimensional polyaniline (C3N)

(2021) Xin Wu et al.   INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER

Biphenylene network: A nonbenzenoid carbon allotrope

(2021) Qitang Fan et al.   SCIENCE

Outstanding strength, optical characteristics and thermal conductivity of graphene-like BC3 and BC6N semiconductors

(2019) Bohayra Mortazavi et al.   CARBON

Influence of thermostatting on nonequilibrium molecular dynamics simulations of heat conduction in solids

(2019) Zhen Li et al.   JOURNAL OF CHEMICAL PHYSICS

Phonon thermal transport in a class of graphene allotropes from first principles

(2018) Xiuxian Yang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Popgraphene: a new 2D planar carbon allotrope composed of 5–8–5 carbon rings for high-performance lithium-ion battery anodes from bottom-up programming

(2018) Shuaiwei Wang et al.   Journal of Materials Chemistry A

ψ-Graphene: A New Metallic Allotrope of Planar Carbon with Potential Applications as Anode Materials for Lithium-Ion Batteries

(2017) Xiaoyin Li et al.   Journal of Physical Chemistry Letters

Comparison of the Green–Kubo and homogeneous non-equilibrium molecular dynamics methods for calculating thermal conductivity

(2017) B Dongre et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Infrared Plasmonic Refractive Index Sensor with Ultra-High Figure of Merit Based on the Optimized All-Metal Grating

(2017) Ruifang Li et al.   Nanoscale Research Letters

Infrared Plasmonic Refractive Index Sensor with Ultra-High Figure of Merit Based on the Optimized All-Metal Grating

(2017) Ruifang Li et al.   Nanoscale Research Letters

Lattice thermal conductivity of penta-graphene

(2016) Fancy Qian Wang et al.   CARBON

Hydrogenation of Penta-Graphene Leads to Unexpected Large Improvement in Thermal Conductivity

(2016) Xufei Wu et al.   NANO LETTERS

Recent Advances in Two-Dimensional Materials beyond Graphene

(2015) Ganesh R. Bhimanapati et al.   ACS Nano

Force and heat current formulas for many-body potentials in molecular dynamics simulations with applications to thermal conductivity calculations

(2015) Zheyong Fan et al.   PHYSICAL REVIEW B

Frequency-dependent phonon mean free path in carbon nanotubes from nonequilibrium molecular dynamics

(2015) K. Sääskilahti et al.   PHYSICAL REVIEW B

Penta-graphene: A new carbon allotrope

(2015) Shunhong Zhang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Two-dimensional carbon allotrope with strong electronic anisotropy

(2013) Cong Su et al.   PHYSICAL REVIEW B

VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data

(2011) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Raman Measurements of Thermal Transport in Suspended Monolayer Graphene of Variable Sizes in Vacuum and Gaseous Environments

(2010) Shanshan Chen et al.   ACS Nano

Architecture of graphdiyne nanoscale films

(2010) Guoxing Li et al.   CHEMICAL COMMUNICATIONS

Optimized Tersoff and Brenner empirical potential parameters for lattice dynamics and phonon thermal transport in carbon nanotubes and graphene

(2010) L. Lindsay et al.   PHYSICAL REVIEW B

A homogeneous nonequilibrium molecular dynamics method for calculating thermal conductivity with a three-body potential

(2009) Kranthi K. Mandadapu et al.   JOURNAL OF CHEMICAL PHYSICS

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

(2008) Kimberly Chenoweth et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Superior Thermal Conductivity of Single-Layer Graphene

(2008) Alexander A. Balandin et al.   NANO LETTERS

Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene

(2008) C. Lee et al.   SCIENCE